765827

Source:http://linkedlifedata.com/resource/chembl/compound/765827

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:7725
chemicalCompound:standardIn...	InChI=1S/C23H16O11.Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);/q;+1/p-2
chemicalCompound:standardIn...	FOXZSJZEADRHAD-UHFFFAOYSA-L
chemicalCompound:canonicalS...	[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-]
chemicalCompound:molecularF...	C23H14NaO11
chemicalCompound:moleculeId	765827
chemicalCompound:mwFreebase	468.367
chemicalCompound:alogp	1.77
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	165.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.943
chemicalCompound:acdLogP	1.997
chemicalCompound:acdLogD	-2.753
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	489.34
chemicalCompound:chemblId	CHEMBL1341943
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:865827
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:4130709, activity:4518986, activity:7295669